methyl 4-[[3-(dodecanoylamino)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(dodecanoylamino)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(dodecanoylamino)benzoyl]amino]benzoate CAS Name: 4-[[oxo-[3-(1-oxododecylamino)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(dodecanoylamino)benzoyl]amino]benzoate Traditional Name: 4-[[3-(lauroylamino)benzoyl]amino]benzoic acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C27H36N2O4/c1-3-4-5-6-7-8-9-10-11-15-25(30)28-24-14-12-13-22(20-24)26(31)29-23-18-16-21(17-19-23)27(32)33-2/h12-14,16-20H,3-11,15H2,1-2H3,(H,28,30)(H,29,31)